Receptor
PDB id Resolution Class Description Source Keywords
3R1V 2.19 Å NON-ENZYME: BINDING ODORANT BINDING PROTEIN 7 FROM ANOPHELES GAMBIAE WITH FOUR D BRIDGES, IN COMPLEX WITH AN AZO COMPOUND ANOPHELES GAMBIAE ALL HELICAL PROTEIN ODORANT MOLECULES BINDING MOSQUITO ANTTRANSPORT PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 7 ANOPHELES GAMBIAE EXHIBITS AN OUTSTANDING ADAPTABIL ITS BINDING SITE. J.MOL.BIOL. V. 414 401 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZB A:128;
B:128;
Valid;
Valid;
none;
none;
Kd = 1.2 uM
240.3 C15 H16 N2 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R1V 2.19 Å NON-ENZYME: BINDING ODORANT BINDING PROTEIN 7 FROM ANOPHELES GAMBIAE WITH FOUR D BRIDGES, IN COMPLEX WITH AN AZO COMPOUND ANOPHELES GAMBIAE ALL HELICAL PROTEIN ODORANT MOLECULES BINDING MOSQUITO ANTTRANSPORT PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 7 ANOPHELES GAMBIAE EXHIBITS AN OUTSTANDING ADAPTABIL ITS BINDING SITE. J.MOL.BIOL. V. 414 401 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3R1V Kd = 1.2 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3R1V Kd = 1.2 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3R1V Kd = 1.2 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AZB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AZB 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R1V; Ligand: AZB; Similar sites found: 71
This union binding pocket(no: 1) in the query (biounit: 3r1v.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KP6 SAL 0.003253 0.45372 None
2 3KO0 TFP 0.006342 0.44265 None
3 3KYQ DPV 0.01302 0.42328 None
4 3G5K BB2 0.007923 0.4133 None
5 2YLD CMO 0.03237 0.40654 None
6 2VWA PTY 0.0438 0.40063 None
7 4K7O EKZ 0.03727 0.40045 None
8 1RM8 BAT 0.02493 0.40848 1.5748
9 4DK7 0KS 0.004888 0.41562 2.3622
10 2Z9I GLY ALA THR VAL 0.01881 0.41148 2.3622
11 4MYD 164 0.02705 0.40253 2.3622
12 2WOR 2AN 0.01748 0.42061 3
13 3TL1 JRO 0.005713 0.44196 3.14961
14 1M2Z BOG 0.02264 0.42409 3.14961
15 3ZCB ATP 0.005642 0.42403 3.14961
16 4AIG FLX 0.008705 0.42323 3.14961
17 3AQT RCO 0.00479 0.44862 3.93701
18 2OKL BB2 0.006614 0.41328 3.93701
19 2OCI TYC 0.02674 0.40926 3.93701
20 1GT4 UNA 0.01248 0.40415 3.93701
21 4FLP JQ1 0.02039 0.41552 4.20168
22 4QEK GLC 0.04395 0.4142 4.65116
23 1LQY BB2 0.005669 0.4163 4.72441
24 2GBB CIT 0.02004 0.40921 4.72441
25 5JF2 SF7 0.007492 0.40741 4.72441
26 4OAR 2S0 0.006506 0.40681 4.72441
27 4ZVI 4S4 0.008717 0.40449 4.72441
28 3TDC 0EU 0.0001174 0.46311 5.51181
29 3FAL REA 0.01098 0.41035 5.51181
30 4X8D AVI 0.03334 0.40886 5.51181
31 3V49 PK0 0.003982 0.40346 5.51181
32 4J6C STR 0.03143 0.40317 5.51181
33 4POJ 2VP 0.00519 0.40171 5.51181
34 2V5E SCR 0.01359 0.40612 5.94059
35 2Z77 NCA 0.01187 0.42538 6.29921
36 5AAV GW5 0.006426 0.42383 6.29921
37 3GN8 DEX 0.005201 0.41103 6.29921
38 1NHZ 486 0.005442 0.41017 6.29921
39 4MGD 27N 0.01143 0.40952 6.29921
40 4E2J MOF 0.005123 0.40805 6.29921
41 4CUB GAL NAG 0.03724 0.40432 6.29921
42 2BCG GER 0.02544 0.40389 6.29921
43 5UC9 MYR 0.008526 0.42813 7.08661
44 2BP1 FLC 0.0273 0.40813 7.08661
45 3LXI CAM 0.03497 0.40205 7.08661
46 4BG4 ARG 0.01268 0.42294 7.87402
47 3VSV XYP 0.01737 0.41238 7.87402
48 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.02 0.40526 8.57143
49 2E40 LGC 0.03839 0.40089 8.66142
50 1YRO UDP 0.03401 0.40076 8.66142
51 3N7S 3N7 0.01393 0.41653 8.69565
52 1JGS SAL 0.007687 0.43315 9.44882
53 3ET1 ET1 0.009033 0.40715 9.44882
54 4RW3 DKA 0.02126 0.4189 10.2362
55 1Q1Y BB2 0.008224 0.41629 11.0236
56 4XNV BUR 0.04323 0.40062 11.0236
57 1Q3A NGH 0.02029 0.40893 12.5984
58 4C1M NIH 0.02902 0.40491 12.963
59 1XVB BBX 0.004468 0.43293 13.3858
60 1DKF OLA 0.01261 0.4075 14.1732
61 5L9B AKG 0.0196 0.4057 14.9606
62 5L9V OGA 0.0198 0.40548 14.9606
63 4DR9 BB2 0.01504 0.4004 16.5354
64 1R55 097 0.02324 0.40591 17.3228
65 4CFS HQD 0.02091 0.40057 18.8976
66 2ALG DAO 0.01907 0.41761 19.5652
67 4IA6 EIC 0.004374 0.44775 22.8346
68 4DOL PLM 0.01079 0.40364 27.5591
69 3R9V DXC 0.02752 0.40817 29.1339
70 1J78 VDY 0.02711 0.40248 30.7087
71 1OW4 2AN 0.004568 0.43261 37.7953
Pocket No.: 2; Query (leader) PDB : 3R1V; Ligand: AZB; Similar sites found: 6
This union binding pocket(no: 2) in the query (biounit: 3r1v.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LFO OLA 0.006675 0.40805 None
2 3P9T TCL 0.02368 0.40014 5.51181
3 1XMY ROL 0.01862 0.40937 7.87402
4 4M51 BEZ 0.01611 0.4207 10.2362
5 2ZL4 ALA ALA ALA ALA 0.00936 0.43196 11.0236
6 1XVB 3BR 0.01914 0.40474 13.3858
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